[1-butyl-3-(dimethylamino)-4-phenyl-piperidin-1-ium-1-yl] ethanoate

Systemtic Name: [1-butyl-3-(dimethylamino)-4-phenyl-piperidin-1-ium-1-yl] ethanoate Openeye Name: [1-butyl-3-(dimethylamino)-4-phenyl-piperidin-1-ium-1-yl] acetate CAS Name: acetic acid [1-butyl-3-(dimethylamino)-4-phenyl-1-piperidin-1-iumyl] ester IUPAC Name: [1-butyl-3-(dimethylamino)-4-phenylpiperidin-1-ium-1-yl] acetate Traditional Name: acetic acid [1-butyl-3-(dimethylamino)-4-phenyl-piperidin-1-ium-1-yl] ester Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(C(C1)N(C)C)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCC[N+]1(CCC(C(C1)N(C)C)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C19H31N2O2/c1-5-6-13-21(23-16(2)22)14-12-18(19(15-21)20(3)4)17-10-8-7-9-11-17/h7-11,18-19H,5-6,12-15H2,1-4H3/q+1